N-cyclopropyl-2-{4,9-dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase编号: 214744
• 分子式: C24H21NO4
• 平均质量: 387.42784
• 单一同位素质量: 387.14705816
• SMILES: c1(c2c3c(c(co3)c3ccccc3)c(cc2oc(=O)c1CC(=O)NC1CC1)C)C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)c1ccccc1)NC1CC1
• InChI: InChI=1S/C24H21NO4/c1-13-10-19-22(23-21(13)18(12-28-23)15-6-4-3-5-7-15)14(2)17(24(27)29-19)11-20(26)25-16-8-9-16/h3-7,10,12,16H,8-9,11H2,1-2H3,(H,25,26)
• InChIKey: UDPCNIWJOHMCLJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopropyl-2-{4,9-dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC传统名: N-cyclopropyl-2-{4,9-dimethyl-7-oxo-3-phenylfuro[2,3-f]chromen-8-yl}acetamide

登记号

• PubChem SID: 164270654
• PubChem CID: 4968146

理论计算性质

• Acid pKa: 14.625757
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 3.8046997
• LogD (pH = 7.4): 3.8046997
• Log P: 3.8046997
• 摩尔折射率: 109.4027 cm^3
• 极化性: 44.343113 Å^3
• 极化表面积: 68.54 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds